16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-32.109148050382714 stress="-0.00413395611226523 -0.0007963688731099907 -0.00012951845257214587 -0.0007963688731099907 -0.003945314688404358 -0.0013961385752431221 -0.00012951845257214587 -0.0013961385752431221 -0.0038350973589796286" pbc="F F F" I 21.18330694 20.87994181 20.92701005 -0.01752638 -0.36576469 0.28169354 I 22.32470342 22.74808003 22.39454821 7.99022864 -36.91497398 -16.58296594 I 24.06462246 20.75300167 21.14546099 -42.68630507 -36.52846639 -21.99418245 I 25.57011552 22.22867829 22.01200223 40.25390044 40.67130197 26.56233778 I 20.70761060 24.25522232 21.13461886 -17.06075168 -4.85988926 -18.43701590 I 22.35113483 25.27056071 22.61707463 6.47364837 51.63564304 -14.89512432 I 23.84137502 23.89337476 20.87921420 11.54135617 9.43967485 -12.35561649 I 25.71066266 25.55221930 22.62340494 -1.62172013 -1.65819632 -7.12960136 I 20.73884241 21.39354607 23.81239940 -3.94340283 -18.24410745 4.16247999 I 22.62910204 22.45496325 25.55050352 -18.14984383 12.55128741 21.48849553 I 23.85039882 21.25922189 23.88493821 -2.02227105 -28.34398938 -34.08771629 I 25.42597960 22.22057525 25.42148644 15.72855006 12.77320964 14.48431509 I 20.74638829 23.88346897 23.77698867 -30.58378675 13.04854719 31.25395956 I 22.73500502 25.27584575 25.37275342 -31.27519111 30.38960366 35.93287046 I 23.85901016 23.96535311 23.86906371 46.98913332 -55.50508416 -28.74207666 I 25.37937429 25.28471308 25.16806147 18.38398182 11.91120387 20.05814746